2-[4-(2-methyl-1H-indol-3-yl)imidazol-1-yl]acetic acid

C14H13N3O2 — CID 82299162

IUPAC2-[4-(2-methyl-1H-indol-3-yl)imidazol-1-yl]acetic acid
SMILESCc1[nH]c2ccccc2c1-c1cn(CC(=O)O)cn1
InChIInChI=1S/C14H13N3O2/c1-9-14(10-4-2-3-5-11(10)16-9)12-6-17(8-15-12)7-13(18)19/h2-6,8,16H,7H2,1H3,(H,18,19)
InChIKeyOSWMUNVPAOXVOH-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.42
Rot. Bonds3

About 2-[4-(2-methyl-1H-indol-3-yl)imidazol-1-yl]acetic acid

2-[4-(2-methyl-1H-indol-3-yl)imidazol-1-yl]acetic acid (PubChem CID 82299162) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-[4-(2-methyl-1H-indol-3-yl)imidazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-methyl-1H-indol-3-yl)imidazol-1-yl]acetic acid
PubChem CID82299162
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name2-[4-(2-methyl-1H-indol-3-yl)imidazol-1-yl]acetic acid
SMILESCc1[nH]c2ccccc2c1-c1cn(CC(=O)O)cn1
InChIInChI=1S/C14H13N3O2/c1-9-14(10-4-2-3-5-11(10)16-9)12-6-17(8-15-12)7-13(18)19/h2-6,8,16H,7H2,1H3,(H,18,19)
InChIKeyOSWMUNVPAOXVOH-UHFFFAOYSA-N
XLogP2.42
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-methyl-1H-indol-3-yl)-1H-imidazol-5-yl]acetic acid
CID 82299158
2-[3-methyl-5-[(2-methyl-1H-indol-3-yl)methyl]-1,2,4-triazol-1-yl]acetic acid
CID 72868259
1-[4-(2-methyl-1H-indol-3-yl)pyrimidin-2-yl]ethanone
CID 116901481
2-(2-methyl-1H-indol-3-yl)benzoic acid
CID 82039867
4-bromo-1-methyl-5-(2-methyl-1H-indol-3-yl)pyrazole-3-carboxylic acid
CID 136967005
2-methyl-3-(1-methylpyrrol-3-yl)-1H-indole
CID 175789858
2-[(2-methyl-1H-indole-3-carbonyl)amino]oxyacetic acid
CID 63930965
3-[[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]amino]propanoic acid
CID 98017040
[6-(2-methyl-1H-indol-3-yl)pyridazin-3-yl]methanamine
CID 82292200
4-(2-methyl-1H-indol-3-yl)pyrimidin-2-amine
CID 67553522
ethyl 2-methyl-5-(2-methyl-1H-indol-3-yl)-1-phenylpyrrole-3-carboxylate
CID 132915432
2-[4-[[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]methyl]triazol-1-yl]acetic acid
CID 120697865

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methyl-1H-indol-3-yl)imidazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(2-methyl-1H-indol-3-yl)imidazol-1-yl]acetic acid (CID 82299162) is 2-[4-(2-methyl-1H-indol-3-yl)imidazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-methyl-1H-indol-3-yl)imidazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(2-methyl-1H-indol-3-yl)imidazol-1-yl]acetic acid is Cc1[nH]c2ccccc2c1-c1cn(CC(=O)O)cn1.
What is the InChIKey of 2-[4-(2-methyl-1H-indol-3-yl)imidazol-1-yl]acetic acid?
The InChIKey is OSWMUNVPAOXVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-9-14(10-4-2-3-5-11(10)16-9)12-6-17(8-15-12)7-13(18)19/h2-6,8,16H,7H2,1H3,(H,18,19).
What are the key properties of 2-[4-(2-methyl-1H-indol-3-yl)imidazol-1-yl]acetic acid?
2-[4-(2-methyl-1H-indol-3-yl)imidazol-1-yl]acetic acid has a molecular weight of 255.28 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methyl-1H-indol-3-yl)imidazol-1-yl]acetic acid is sourced from PubChem (CID 82299162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).